SCHEMBL9876002

SCHEMBL9876002

Sc1ncc[nH]1.c1ccc(-c2c3ccccc3nc3ccccc23)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HIF1A Q16665 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
METAP1 P53582 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
MTOR P42345 1/20 0.42
METAP2 P50579 1/20 0.42
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
AGTR1 P30556 1/20 0.39
CYP1A2 P05177 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9875643 0.86 METAP2 (0.48) LMNARAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL9876096 0.86 AR (0.40) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL9875902 0.85 ESR1 (0.49) LMNAALDH1A1GAASMN1; SMN2HPGD
SCHEMBL321429 0.82 METAP1 (0.58) LMNARAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL29488283 0.82 METAP1 (0.58) LMNARAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL9876007 0.81 ESR1 (0.42) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
Phenazine SCHEMBL29069909 0.81 MAPT (0.46) LMNARAB9ANPC1ALDH1A1L3MBTL1
Terpyridine SCHEMBL7785028 0.78 KDM4E (0.60) LMNARAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL9875363 0.78 F2 (0.45) LMNAALDH1A1HPGDMAPTPOLB
SCHEMBL7790890 0.75 CCR1 (0.66) LMNARAB9ANPC1ALDH1A1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045433-A Photopolymerization initiators HITACHI CHEMICAL CO., LTD. (JP) 1991-09-03 US disclosed